{"id":16176,"npaid":"NPA016176","original_name":"Polyoxypeptin","mol_formula":"C45H76N8O15","mol_weight":"969.1440","exact_mass":"968.5430","inchikey":"IHVXCLXQTOSBMJ-FINQWCIQSA-N","smiles":"CC[C@@H]1[C@H](CC[C@@](O1)([C@@](C)(C(=O)N[C@H]2[C@@H](OC(=O)[C@@H](N(C(=O)[C@@H]3[C@](CCN3C(=O)[C@H]4C[C@H](CNN4C(=O)[C@@H](N(C(=O)[C@H]5CCCNN5C2=O)O)C)O)(C)O)O)C(C)C)C(C)C)O)O)C[C@@H](C)CC","cluster_id":579,"node_id":516,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C45H76N8O15/c1-11-25(7)20-27-15-16-45(64,68-31(27)12-2)44(10,63)42(61)48-32-34(24(5)6)67-41(60)33(23(3)4)53(66)40(59)35-43(9,62)17-19-49(35)37(56)30-21-28(54)22-47-51(30)36(55)26(8)52(65)38(57)29-14-13-18-46-50(29)39(32)58/h23-35,46-47,54,62-66H,11-22H2,1-10H3,(H,48,61)/t25-,26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,43+,44+,45+/m0/s1","m_plus_h":"969.5503","m_plus_na":"991.5322","origin_reference":{"doi":"10.1016/s0040-4039(98)00031-8","pmid":null,"authors":"Umezawa, Kazuo; Nakazawa, Kumi; Uemura, Toshio; Ikeda, Yoko; Kondo, Shinichi; Naganawa, Hiroshi; Kinoshita, Naoko; Hashizume, Hideki; Hamada, Masa; Takeuchi, Tomio; Ohba, Shigeru","title":"Polyoxypeptin isolated from Streptomyces: A bioactive cyclic depsipeptide containing the novel amino acid 3-hydroxy-3-methylproline","journal":"Tetrahedron Letters","year":1998,"volume":"39","issue":"11","pages":"1389-1392"},"origin_organism":{"id":3898,"type":"Bacterium","genus":"Streptomyces","species":"sp.","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/s0040-4039(98)00031-8","structure_smiles":"CC[C@@H]1[C@H](CC[C@@](O1)([C@@](C)(C(=O)N[C@H]2[C@@H](OC(=O)[C@@H](N(C(=O)[C@@H]3[C@](CCN3C(=O)[C@H]4C[C@H](CNN4C(=O)[C@@H](N(C(=O)[C@H]5CCCNN5C2=O)O)C)O)(C)O)O)C(C)C)C(C)C)O)O)C[C@@H](C)CC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001036"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001813","name":"Peptidomimetics","chemont_id":"CHEMONTID:0001813","description":"Compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide."},"smiles":"CC[C@H](C)C[C@H]1CC[C@@](O)(O[C@@H]1CC)[C@](C)(O)C(=O)N[C@H]1[C@@H](OC(=O)[C@H](C(C)C)N(O)C(=O)[C@H]2N(CC[C@@]2(C)O)C(=O)[C@H]2C[C@@H](O)CNN2C(=O)[C@H](C)N(O)C(=O)[C@H]2CCCNN2C1=O)C(C)C","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=IHVXCLXQTOSBMJ-FINQWCIQSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001961","name":"Depsipeptides","chemont_id":"CHEMONTID:0001961","description":"Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating."},"ancestors":["Alcohols and polyols","Alpha amino acid esters","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acid hydrazides","Carboxylic acids and derivatives","Chemical entities","Cyclic depsipeptides","Depsipeptides","Diazinanes","Ethers","Hemiacetals","Hydrocarbon derivatives","Hydroxamic acids","Lactams","Lactones","Macrolactams","Macrolide lactams","Macrolides and analogues","Monocarboxylic acids and derivatives","N-acyl-alpha amino acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxanes","Peptidomimetics","Phenylpropanoids and polyketides","Polyols","Primary carboxylic acid amides","Pyrrolidines","Secondary alcohols","Secondary carboxylic acid amides","Tertiary alcohols","Tertiary carboxylic acid amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as cyclic depsipeptides. 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